3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid

C20H18O3 — CID 22559255

IUPAC3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-23-19-10-6-14(7-11-20(21)22)12-18(19)17-9-8-15-4-2-3-5-16(15)13-17/h2-6,8-10,12-13H,7,11H2,1H3,(H,21,22)
InChIKeyKLSVYQHAUQZTKC-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.53
Rot. Bonds5

About 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid

3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid (PubChem CID 22559255) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
PubChem CID22559255
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-23-19-10-6-14(7-11-20(21)22)12-18(19)17-9-8-15-4-2-3-5-16(15)13-17/h2-6,8-10,12-13H,7,11H2,1H3,(H,21,22)
InChIKeyKLSVYQHAUQZTKC-UHFFFAOYSA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-[(2-ethylphenyl)carbamothioylamino]ethoxy]-3-naphthalen-2-ylphenyl]propanoic acid
CID 87890024
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate
CID 10287758
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
methyl 3-[4-[2-(N-methylsulfonylanilino)ethoxy]-3-naphthalen-2-ylphenyl]propanoate
CID 68741250
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
CID 154454380
3-[3-(1H-indol-5-yl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 10237427
6-[5-(2-carboxyethyl)-2-(cyclohexylmethoxy)phenyl]naphthalene-2-carboxylic acid
CID 22558817
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid?
The IUPAC name of 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid (CID 22559255) is 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid is COc1ccc(CCC(=O)O)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid?
The InChIKey is KLSVYQHAUQZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-23-19-10-6-14(7-11-20(21)22)12-18(19)17-9-8-15-4-2-3-5-16(15)13-17/h2-6,8-10,12-13H,7,11H2,1H3,(H,21,22).
What are the key properties of 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid?
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid is sourced from PubChem (CID 22559255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).